1-[2,4-bis(fluoranyl)benzene-6-id-1-yl]isoquinoline; iridium; dihydrate

Systemtic Name: 1-[2,4-bis(fluoranyl)benzene-6-id-1-yl]isoquinoline; iridium; dihydrate Openeye Name: 1-(2,4-difluorobenzene-6-id-1-yl)isoquinoline; iridium; dihydrate CAS Name: 1-(2,4-difluoro-1-benzene-6-idyl)isoquinoline; iridium; dihydrate IUPAC Name: 1-(2,4-difluorobenzene-6-id-1-yl)isoquinoline; iridium; dihydrate Traditional Name: 1-(2,4-difluorobenzene-6-id-1-yl)isoquinoline; iridium; dihydrate Formula: C30H20F4Ir2N2O2-2 MolecularWeight: 900.919613

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CN=C2C3=C(C=C(C=[C-]3)F)F.C1=CC=C2C(=C1)C=CN=C2C3=C(C=C(C=[C-]3)F)F.O.O.[Ir].[Ir]

Isomeric SMILES

C1=CC=C2C(=C1)C=CN=C2C3=C(C=C(C=[C-]3)F)F.C1=CC=C2C(=C1)C=CN=C2C3=C(C=C(C=[C-]3)F)F.O.O.[Ir].[Ir]

InChI

InChI=1S/2C15H8F2N.2Ir.2H2O/c2*16-11-5-6-13(14(17)9-11)15-12-4-2-1-3-10(12)7-8-18-15;;;;/h2*1-5,7-9H;;;2*1H2/q2*-1;;;;